CID 209122

Ethyl 2-(3,4-dimethoxyphenyl)-2-hydroxypropanoate

Structural Information

Molecular Formula
C13H18O5
SMILES
CCOC(=O)C(C)(C1=CC(=C(C=C1)OC)OC)O
InChI
InChI=1S/C13H18O5/c1-5-18-12(14)13(2,15)9-6-7-10(16-3)11(8-9)17-4/h6-8,15H,5H2,1-4H3
InChIKey
CEGUQTIIEIAHPH-UHFFFAOYSA-N
Compound name
ethyl 2-(3,4-dimethoxyphenyl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11542 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12270 155.7
[M+Na]+ 277.10464 163.0
[M-H]- 253.10814 158.3
[M+NH4]+ 272.14924 172.5
[M+K]+ 293.07858 162.5
[M+H-H2O]+ 237.11268 150.0
[M+HCOO]- 299.11362 176.2
[M+CH3COO]- 313.12927 193.1
[M+Na-2H]- 275.09009 159.8
[M]+ 254.11487 161.4
[M]- 254.11597 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.